3-(3-ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine

C9H18FNO2S — CID 112564114

IUPAC3-(3-ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine
SMILESCCS(=O)(=O)CCCC1(F)CC(N)C1
InChIInChI=1S/C9H18FNO2S/c1-2-14(12,13)5-3-4-9(10)6-8(11)7-9/h8H,2-7,11H2,1H3
InChIKeyOYHLNAHRZKLQOX-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.03
Rot. Bonds5

About 3-(3-ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine

3-(3-ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine (PubChem CID 112564114) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is 3-(3-ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine
PubChem CID112564114
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name3-(3-ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine
SMILESCCS(=O)(=O)CCCC1(F)CC(N)C1
InChIInChI=1S/C9H18FNO2S/c1-2-14(12,13)5-3-4-9(10)6-8(11)7-9/h8H,2-7,11H2,1H3
InChIKeyOYHLNAHRZKLQOX-UHFFFAOYSA-N
XLogP1.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine?
The IUPAC name of 3-(3-ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine (CID 112564114) is 3-(3-ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine.
What is the SMILES notation for 3-(3-ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine?
The canonical SMILES for 3-(3-ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine is CCS(=O)(=O)CCCC1(F)CC(N)C1.
What is the InChIKey of 3-(3-ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine?
The InChIKey is OYHLNAHRZKLQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-2-14(12,13)5-3-4-9(10)6-8(11)7-9/h8H,2-7,11H2,1H3.
What are the key properties of 3-(3-ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine?
3-(3-ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine has a molecular weight of 223.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 112564114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).